2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C15H12F2N4O2 — CID 170284084

IUPAC2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(F)c1nnc(-c2ccc(COc3ncccc3F)nc2)o1
InChIInChI=1S/C15H12F2N4O2/c1-9(16)13-20-21-14(23-13)10-4-5-11(19-7-10)8-22-15-12(17)3-2-6-18-15/h2-7,9H,8H2,1H3
InChIKeyOZEDYEGVLBGVEL-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.28
Rot. Bonds5

About 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 170284084) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID170284084
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(F)c1nnc(-c2ccc(COc3ncccc3F)nc2)o1
InChIInChI=1S/C15H12F2N4O2/c1-9(16)13-20-21-14(23-13)10-4-5-11(19-7-10)8-22-15-12(17)3-2-6-18-15/h2-7,9H,8H2,1H3
InChIKeyOZEDYEGVLBGVEL-UHFFFAOYSA-N
XLogP3.28
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284045
2-(1-fluoroethyl)-5-[6-(pyrazin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284072
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073
2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
CID 170284032
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
2-(difluoromethyl)-5-[6-[[5-[2-(3-methylphenyl)ethynyl]-3-pyridinyl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 178145906

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 170284084) is 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is CC(F)c1nnc(-c2ccc(COc3ncccc3F)nc2)o1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is OZEDYEGVLBGVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-9(16)13-20-21-14(23-13)10-4-5-11(19-7-10)8-22-15-12(17)3-2-6-18-15/h2-7,9H,8H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 318.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170284084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).